Speedy SMILES Clean Charges

This node cleans the deprecated charge style using multiple repeated '+' or '-' characters, e.g. [Fe+++] becomes [Fe+3], [O--] becomes [O-2]. Single charges, e.g .[Fe+], [O-] are left unchanged.

Also, unrequired '1' counts are removed from e.g. [Na+1] and [Cl-1], becoming [Na+] and [Cl-] repsectively

This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com